1-benzyl-4-[2-(methoxymethyl)phenyl]piperazine;1-[2-(methoxymethyl)phenyl]piperazine

C31H42N4O2 — CID 159879194

IUPAC1-benzyl-4-[2-(methoxymethyl)phenyl]piperazine;1-[2-(methoxymethyl)phenyl]piperazine
SMILESCOCc1ccccc1N1CCN(Cc2ccccc2)CC1.COCc1ccccc1N1CCNCC1
InChIInChI=1S/C19H24N2O.C12H18N2O/c1-22-16-18-9-5-6-10-19(18)21-13-11-20(12-14-21)15-17-7-3-2-4-8-17;1-15-10-11-4-2-3-5-12(11)14-8-6-13-7-9-14/h2-10H,11-16H2,1H3;2-5,13H,6-10H2,1H3
InChIKeyNTHRDHQVQVIJAT-UHFFFAOYSA-N
MW502.70 g/mol
LogP4.40
Rot. Bonds8

About 1-benzyl-4-[2-(methoxymethyl)phenyl]piperazine;1-[2-(methoxymethyl)phenyl]piperazine

1-benzyl-4-[2-(methoxymethyl)phenyl]piperazine;1-[2-(methoxymethyl)phenyl]piperazine (PubChem CID 159879194) has the molecular formula C31H42N4O2 and a molecular weight of 502.70 g/mol. Its IUPAC name is 1-benzyl-4-[2-(methoxymethyl)phenyl]piperazine;1-[2-(methoxymethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[2-(methoxymethyl)phenyl]piperazine;1-[2-(methoxymethyl)phenyl]piperazine
PubChem CID159879194
Molecular FormulaC31H42N4O2
Molecular Weight502.70 g/mol
Exact Mass502.33
IUPAC Name1-benzyl-4-[2-(methoxymethyl)phenyl]piperazine;1-[2-(methoxymethyl)phenyl]piperazine
SMILESCOCc1ccccc1N1CCN(Cc2ccccc2)CC1.COCc1ccccc1N1CCNCC1
InChIInChI=1S/C19H24N2O.C12H18N2O/c1-22-16-18-9-5-6-10-19(18)21-13-11-20(12-14-21)15-17-7-3-2-4-8-17;1-15-10-11-4-2-3-5-12(11)14-8-6-13-7-9-14/h2-10H,11-16H2,1H3;2-5,13H,6-10H2,1H3
InChIKeyNTHRDHQVQVIJAT-UHFFFAOYSA-N
XLogP4.40
TPSA40.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.70
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-benzylpiperazin-1-yl)phenyl]methanol
CID 2741998
azane;1-benzylpiperazine
CID 174866973
1-[2-(methoxymethyl)phenyl]-3-methylpiperazine
CID 64925935
[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]methanamine
CID 19627364
1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine
CID 156786556
1-[2-[(3-methoxyphenoxy)methyl]phenyl]piperazine
CID 53304148
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-(2-methoxyphenyl)-4-[(5-phenyl-3-pyridinyl)methyl]piperazine;1-(2-methoxyphenyl)piperazine;dihydrate;trihydrochloride
CID 159209480
5-[2-(methoxymethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 155345672
2-[4-benzyl-7-[[2-(hydroxymethyl)phenyl]methyl]-1,4,7-triazonan-1-yl]phenol
CID 142081994
3-cyclopropyl-1-[2-(methoxymethyl)phenyl]piperazine
CID 64926120
1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
CID 1376375

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(methoxymethyl)phenyl]piperazine;1-[2-(methoxymethyl)phenyl]piperazine?
The IUPAC name of 1-benzyl-4-[2-(methoxymethyl)phenyl]piperazine;1-[2-(methoxymethyl)phenyl]piperazine (CID 159879194) is 1-benzyl-4-[2-(methoxymethyl)phenyl]piperazine;1-[2-(methoxymethyl)phenyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[2-(methoxymethyl)phenyl]piperazine;1-[2-(methoxymethyl)phenyl]piperazine?
The canonical SMILES for 1-benzyl-4-[2-(methoxymethyl)phenyl]piperazine;1-[2-(methoxymethyl)phenyl]piperazine is COCc1ccccc1N1CCN(Cc2ccccc2)CC1.COCc1ccccc1N1CCNCC1.
What is the InChIKey of 1-benzyl-4-[2-(methoxymethyl)phenyl]piperazine;1-[2-(methoxymethyl)phenyl]piperazine?
The InChIKey is NTHRDHQVQVIJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O.C12H18N2O/c1-22-16-18-9-5-6-10-19(18)21-13-11-20(12-14-21)15-17-7-3-2-4-8-17;1-15-10-11-4-2-3-5-12(11)14-8-6-13-7-9-14/h2-10H,11-16H2,1H3;2-5,13H,6-10H2,1H3.
What are the key properties of 1-benzyl-4-[2-(methoxymethyl)phenyl]piperazine;1-[2-(methoxymethyl)phenyl]piperazine?
1-benzyl-4-[2-(methoxymethyl)phenyl]piperazine;1-[2-(methoxymethyl)phenyl]piperazine has a molecular weight of 502.70 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(methoxymethyl)phenyl]piperazine;1-[2-(methoxymethyl)phenyl]piperazine is sourced from PubChem (CID 159879194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).